N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide

C19H23N7O — CID 172881810

IUPACN,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(c3ncnc4ncccc34)CC2)nn1C
InChIInChI=1S/C19H23N7O/c1-13-11-16(23-25(13)3)19(27)24(2)14-6-9-26(10-7-14)18-15-5-4-8-20-17(15)21-12-22-18/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyMSKNFSDAPVJIGD-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.81
Rot. Bonds3

About N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide

N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 172881810) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID172881810
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC NameN,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(c3ncnc4ncccc34)CC2)nn1C
InChIInChI=1S/C19H23N7O/c1-13-11-16(23-25(13)3)19(27)24(2)14-6-9-26(10-7-14)18-15-5-4-8-20-17(15)21-12-22-18/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyMSKNFSDAPVJIGD-UHFFFAOYSA-N
XLogP1.81
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide (CID 172881810) is N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCN(c3ncnc4ncccc34)CC2)nn1C.
What is the InChIKey of N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is MSKNFSDAPVJIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13-11-16(23-25(13)3)19(27)24(2)14-6-9-26(10-7-14)18-15-5-4-8-20-17(15)21-12-22-18/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide?
N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 172881810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).